1-[3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-pyridin-3-ylethanone

C20H25N3O2 — CID 156601777

IUPAC1-[3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-pyridin-3-ylethanone
SMILESCN(C)C1CN(C(=O)Cc2cccnc2)CCC1(O)c1ccccc1
InChIInChI=1S/C20H25N3O2/c1-22(2)18-15-23(19(24)13-16-7-6-11-21-14-16)12-10-20(18,25)17-8-4-3-5-9-17/h3-9,11,14,18,25H,10,12-13,15H2,1-2H3
InChIKeyDOWVGDMCFCYJHW-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.67
Rot. Bonds4

About 1-[3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-pyridin-3-ylethanone

1-[3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-pyridin-3-ylethanone (PubChem CID 156601777) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-pyridin-3-ylethanone
PubChem CID156601777
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-[3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-pyridin-3-ylethanone
SMILESCN(C)C1CN(C(=O)Cc2cccnc2)CCC1(O)c1ccccc1
InChIInChI=1S/C20H25N3O2/c1-22(2)18-15-23(19(24)13-16-7-6-11-21-14-16)12-10-20(18,25)17-8-4-3-5-9-17/h3-9,11,14,18,25H,10,12-13,15H2,1-2H3
InChIKeyDOWVGDMCFCYJHW-UHFFFAOYSA-N
XLogP1.67
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pirmenol
CID 65502
N-cyclopropyl-N-(trans-4-pyridin-3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide
CID 16726072
Pirmenol Hydrochloride
CID 65501
2-Morpholino-1,1-di(pyridin-3-yl)octan-1-ol
CID 11646379
[4-(3-Hydroxy-3,3-diphenyl-propionyl)-piperazin-1-yl]-(2-methyl-pyridin-3-yl)-acetonitrile
CID 9889462
(2-Methyl-pyridin-3-yl)-[4-(4,4,4-trifluoro-3-hydroxy-3-phenyl-butyryl)-piperazin-1-yl]-acetonitrile
CID 10002913
[4-(3-Hydroxy-3,3-diphenyl-propionyl)-piperazin-1-yl]-pyridin-3-yl-acetonitrile
CID 10410208
[4-(3-Hydroxy-3-phenyl-3-pyridin-3-yl-propionyl)-piperazin-1-yl]-(2-methyl-pyridin-3-yl)-acetonitrile
CID 10411043
{4-[3,3-Bis-(4-fluoro-phenyl)-3-hydroxy-propionyl]-piperazin-1-yl}-(2-methyl-pyridin-3-yl)-acetonitrile
CID 10435103
[4-(3-Hydroxy-3,3-diphenyl-propionyl)-piperazin-1-yl]-pyridin-4-yl-acetonitrile; hydrate
CID 10455159
[4-(3-Hydroxy-3-phenyl-butyryl)-piperazin-1-yl]-(2-methyl-pyridin-3-yl)-acetonitrile
CID 10474804
2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-2-phenyl-N-(1-pyridin-2-ylmethyl-piperidin-4-yl)-acetamide
CID 10836338

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-pyridin-3-ylethanone (CID 156601777) is 1-[3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-pyridin-3-ylethanone is CN(C)C1CN(C(=O)Cc2cccnc2)CCC1(O)c1ccccc1.
What is the InChIKey of 1-[3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-pyridin-3-ylethanone?
The InChIKey is DOWVGDMCFCYJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-22(2)18-15-23(19(24)13-16-7-6-11-21-14-16)12-10-20(18,25)17-8-4-3-5-9-17/h3-9,11,14,18,25H,10,12-13,15H2,1-2H3.
What are the key properties of 1-[3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-pyridin-3-ylethanone?
1-[3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-pyridin-3-ylethanone has a molecular weight of 339.44 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 156601777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).